4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole

C10H14N2O — CID 131201638

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole
SMILESc1nc(CN2CC3CCC2C3)co1
InChIInChI=1S/C10H14N2O/c1-2-10-3-8(1)4-12(10)5-9-6-13-7-11-9/h6-8,10H,1-5H2
InChIKeyURBPJURNYPFVOA-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.66
Rot. Bonds2

About 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole

4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole (PubChem CID 131201638) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole
PubChem CID131201638
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole
SMILESc1nc(CN2CC3CCC2C3)co1
InChIInChI=1S/C10H14N2O/c1-2-10-3-8(1)4-12(10)5-9-6-13-7-11-9/h6-8,10H,1-5H2
InChIKeyURBPJURNYPFVOA-UHFFFAOYSA-N
XLogP1.66
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole (CID 131201638) is 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole is c1nc(CN2CC3CCC2C3)co1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole?
The InChIKey is URBPJURNYPFVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-10-3-8(1)4-12(10)5-9-6-13-7-11-9/h6-8,10H,1-5H2.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole?
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole has a molecular weight of 178.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 131201638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).